methyl 3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate

C10H7F6NO4 — CID 134677123

IUPACmethyl 3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(OC(F)(F)F)nc(C(F)(F)F)c1OC
InChIInChI=1S/C10H7F6NO4/c1-19-6-4(8(18)20-2)3-5(21-10(14,15)16)17-7(6)9(11,12)13/h3H,1-2H3
InChIKeyODZMFWXSPSAJOT-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.79
Rot. Bonds3

About methyl 3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate

methyl 3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate (PubChem CID 134677123) has the molecular formula C10H7F6NO4 and a molecular weight of 319.16 g/mol. Its IUPAC name is methyl 3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
PubChem CID134677123
Molecular FormulaC10H7F6NO4
Molecular Weight319.16 g/mol
Exact Mass319.03
IUPAC Namemethyl 3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(OC(F)(F)F)nc(C(F)(F)F)c1OC
InChIInChI=1S/C10H7F6NO4/c1-19-6-4(8(18)20-2)3-5(21-10(14,15)16)17-7(6)9(11,12)13/h3H,1-2H3
InChIKeyODZMFWXSPSAJOT-UHFFFAOYSA-N
XLogP2.79
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-iodo-3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134666974
methyl 5-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134668443
ethyl 3-hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134667290
methyl 4-(chloromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668325
methyl 3-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 134679196
ethyl 2-(fluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylate
CID 134682047
2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine-4-carbonyl chloride
CID 134675816
methyl 2-[3-fluoro-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 134664855
methyl 2,3,6-trimethoxypyridine-4-carboxylate
CID 130406819
ethyl 3-(bromomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134667861
methyl 2-chloro-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 171029052
methyl 6-methoxy-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134663841

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate?
The IUPAC name of methyl 3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate (CID 134677123) is methyl 3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate is COC(=O)c1cc(OC(F)(F)F)nc(C(F)(F)F)c1OC.
What is the InChIKey of methyl 3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate?
The InChIKey is ODZMFWXSPSAJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO4/c1-19-6-4(8(18)20-2)3-5(21-10(14,15)16)17-7(6)9(11,12)13/h3H,1-2H3.
What are the key properties of methyl 3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate?
methyl 3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate has a molecular weight of 319.16 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate is sourced from PubChem (CID 134677123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).